Spectroscopic and molecular modelling studies of Pt(II) complexes of tetrazole-5-thiol ligands and 1,2-Bis(diphenyl phosphino)ethane, and study the anticancer activity against HepG2 Liver cell line

Two mixed ligand complexes of Pt(II) of 1-methyl-H1-tetrazole-5-thiol (Hmtz) or 1-phenyl-H1-tetrazole-5-thiol (Hptz) ligand and ,2-Bis(diphenyl phosphino)ethane (dppe) were prepared in one pot method. The prepared complexes were characterized using infrared spectroscopy (FTIR), molar conductivity, nuclear magnetic resonance ( 1H-NMR, and 31P-NMR). The results showed that the thiol ligand bonded as monodentate through the sulfur atom to afford square planar geometry. The prepared complexes were evaluated for their inhibitory activity against HepG2 liver cancer and showed good inhibitory activity. Further, the density functional theory (DFT) study was performed for the complexes and ligands using the B3LYP 6-31+G(d, p) functional for the ligands and the LanL2dz functional for complexes. It was found that the [Pt(mtz)2dppe] complex is more stable and chemically efficient than the [Pt(ptz)2dppe] complex through the study of quantum chemical parameters.